CAS: 1266084-51-8; 4-Fluoro-N-(1-Hydroxy-3,3-Dimethyl-1,3-Dihydrobenzo[c][1,2]Oxaborol-6-yl)-2-(Trifluoromethyl)Benzamide
该化合物是非洲人类锥虫病(HAT)的调查性口服治疗,它又称睡眠病,由Trypanosoma brucei gambiense造成.它作为含有黄锥体的小分子,有选择地针对锥虫蛋白质,高特殊性地诱发寄生虫死亡.它单剂量疗法比现有的疗法有很大优势,经常需要长期或亲临的治疗. 临床和临床研究表明,即使在晚期疾病中,它也存在强力的试杀活动,而且具有有利的安全和耐性特征. Acoziborole在资源有限的环境中简化治疗后勤的潜力,是降低HAT在流行地区负担的有希望的候选者. 正在进行进一步的研究,以证实其在广大人群中的功效和安全性.
- 英文名称4-Fluoro-N-(1-Hydroxy-3,3-Dimethyl-1,3-Dihydrobenzo[c][1,2]Oxaborol-6-yl)-2-(Trifluoromethyl)Benzamide
- 中文名称4-氟-N-(1-羟基-3,3-二甲基-1,3-二氢苯并[C][1,2]噁硼戊环-6-基)-2-(三氟甲基)苯甲酰胺
- IUPAC名称4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide
- 其它别名Acoziborole; 4-Fluoro-N-(1-Hydroxy-3,3-Dimethyl-1,3-Dihydrobenzo[c][1,2]Oxaborol-6-yl)-2-(Trifluoromethyl)Benzamide; Benzamide, N-(1,3-Dihydro-1-Hydroxy-3,3-Dimethyl-2,1-Benzoxaborol-6-yl)-4-Fluoro-2-(Trifluoromethyl)-
- CAS编号1266084-51-8
- MFCD编号:MFCD30532746
- FDA UNII编号:2IOR2OO3GW
- 分子式:C17H14BF4NO3分子量:367.11
- 产品CID: 421556
- 同类组份化合物CAS1266084-51-8
- 产品分类有机原料 → 苯类化合物 → 苯取代衍生物
物理性质
MSDS等安全信息
上下游产品
1,3-二氢-1-羟基-3,3-二甲基-2,1-苯并氧杂硼戊环-6-胺 6-Amino-3,3-Dimethylbenzo[c][1,2]Oxaborol-1(3H)-Ol 1266320-01-73,3-二甲基-6-硝基苯并[c][1,2]氧杂硼杂环-1(3H)-醇 3,3-Dimethyl-6-Nitrobenzo[c][1,2]Oxaborol-1(3H)-Ol 1266084-47-2
3,3-二甲基苯并[c][1,2]氧杂戊硼烷-1(3H)-醇 3,3-Dimethylbenzo[c][1,2]Oxaborol-1(3H)-Ol 221352-10-9
合成工艺路线路线简述
- 合成目标产物 4-Fluoro-N-(1-Hydroxy-3,3-Dimethyl-1,3-Dihydrobenzo[c][1,2]Oxaborol-6-yl)-2-(Trifluoromethyl)Benzamide(Wxg02326) 主要起始原料 1266320-01-7 And 4-Fluoro-2-(Trifluoromethyl)Benzoyl Chloride
- (文献来源)合成步骤主要原料 1266320-01-7 和 4-Fluoro-2-(Trifluoromethyl)Benzoyl Chloride
📜2-溴苯基硼酸置于5% Pd(II)/c(Eggshell) 盐酸,正丁基锂,氢气,硝酸,三乙胺体系中,用 四氢呋喃,正己烷,二氯甲烷,水,硝基苯,甲苯 用作溶剂,化学反应 3.0H,反应生成4-氟-N-(1-羟基-3,3-二甲基-1,3-二氢苯并[c][1,2]噁硼戊环-6-基)-2-(三氟甲基)苯甲酰胺
参考文献: Boron-Containing Small Molecules As Antiprotozoal Agents[fr] Petites Molécules Contenant Du Bore à Titre D'Agents Anti-Protozoaires
标题: Boron-Containing Small Molecules As Antiprotozoal Agents[fr] Petites Molécules Contenant Du Bore à Titre D'Agents Anti-Protozoaires
摘要:这项发明提供了用于治疗原虫感染的新化合物,包含这些化合物的制药组合物,以及这些化合物与至少一种额外治疗有效药物的组合.这些化合物具有以下结构式:其中r1是从烷基,芳基或杂环芳基中选择的成员,其中所述烷基,所述芳基或所述杂环芳基上的至少一个取代基可选地被从卤素,未取代的c1,C2,C3,C4,C5或c6烷基,未取代的c1,C2,C3,C4,C5或c6烷氧基,卤代的c1,C2,C3,C4,C5或c6烷基,卤代的c1,C2,C3,C4,C5或c6烷氧基,未取代的c1,C2,C3,C4,C5或c6烷硫基,未取代的苯基中选择的成员取代;X是芳基或杂环芳基,其中所述芳基或所述杂环芳基上的一个取代基是从卤素,未取代的c1,C2,C3,C4,C5或c6烷基,未取代的c1,C2,C3,C4,C5或c6烷氧基,卤代的c1,C2,C3,C4,C5或c6烷基,卤代的c1,C2,C3,C4,C5或c6烷氧基,未取代的c1,C2,C3,C4,C5或c6烷硫基,未取代的苯基或其盐中选择的成员.
海关参考信息
- 2902600000-乙苯
2902700000-异丙基苯
2905122000-异丙醇
2906210000-苄醇 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
专利信息
专利号:US-2023212216-A1
优先权日:2019-12-20
标 题:Synthesis of lactone derivatives and their use in the modification of proteins
发明人：MORRIS ALEXANDER REDFERN; SUTOV GRIGORIJ; BRUNE KARL DIETRICH
权利人:GENIE BIOTECH UK LTD
摘要:Site-specific modifications of proteins are desirable in biotechnological applications such as biopharmaceuticals, immunotherapy, vaccines, and are useful in chemical biology. Gluconoylation is a non-enzymatic, covalent, post-translational modification commonly observed on N-terminal His-Tags bearing proteins. We synthesized glucono-1,5-lactone derivatives, including azido variants for selective acylation. High yield acylation is achieved by simply mixing derivatives with target protein amidst diverse conditions of temperatures, aqueous buffers, excipients, or complex cell lysate.
专利号:AU-2020409711-A1
优先权日:2019-12-20
标题 :Synthesis of lactone derivatives and their use in the modification of proteins
专利号:EP-4076533-A1
优先权日:2019-12-20
标 题:Synthesis of lactone derivatives and their use in the modification of proteins
专利号:CA-3164962-A1
优先权日:2019-12-20
标题 :Synthesis of lactone derivatives and their use in the modification of proteins
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Kennedy PGE. Update on human African trypanosomiasis (sleeping sickness). J Neurol. 2019 Sep;266(9):2334-2337. doi: 10.1007/s00415-019-09425-7. Epub 2019 Jun 17. 74(8):2303-2310. doi: 10.1093/jac/dkz160.
3: Wall RJ, Rico E, Lukac I, Zuccotto F, Elg S, Gilbert IH, Freund Y, Alley MRK, Field MC, Wyllie S, Horn D. Clinical and veterinary trypanocidal benzoxaboroles target CPSF3. Proc Natl Acad Sci U S A. 2018 Sep 18;115(38):9616-9621. doi: 10.1073/pnas.1807915115. Epub 2018 Sep 5.
4: Steketee PC, Vincent IM, Achcar F, Giordani F, Kim DH, Creek DJ, Freund Y, Jacobs R, Rattigan K, Horn D, Field MC, MacLeod A, Barrett MP. Benzoxaborole treatment perturbs S-adenosyl-L-methionine metabolism in Trypanosoma brucei. PLoS Negl Trop Dis. 2018 May 14;12(5):e0006450. doi: 10.1371/journal.pntd.0006450.
合成参考文献
参考文献:10.1016/j.bmc.2016.11.019
摘要:Buchynskyy A, Gillespie JR, Hulverson MA, McQueen J, Creason SA, Ranade RM, Duster NA, Gelb MH, Buckner FS. Discovery of N-(2-aminoethyl)-N-benzyloxyphenyl benzamides: New potent Trypanosoma brucei inhibitors. Bioorganic & Medicinal Chemistry. 2017 Mar;25(5):1571–84. doi: 10.1016/j.bmc.2016.11.019.
参考文献:10.1007/s11306-022-01880-0
摘要:Fall F, Mamede L, Schioppa L, Ledoux A, De Tullio P, Michels P, Frédérich M, Quetin-Leclercq J. Trypanosoma brucei: Metabolomics for analysis of cellular metabolism and drug discovery. Metabolomics. 2022 Mar 19;18(4):20. doi: 10.1007/s11306-022-01880-0.
摘要:S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
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